Gromacs
2026.0-dev-20250707-5d87ef2
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#include <gromacs/applied_forces/qmmm/qmmm.h>
Information about the QM/MM module.
Provides name and method to create a QM/MM module.
Static Public Member Functions | |
static std::unique_ptr< IMDModule > | create () |
Creates a module for applying forces according to a QM/MM. More... | |
Static Public Attributes | |
static constexpr std::string_view | sc_name = "qmmm-cp2k" |
The name of the module. | |
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Creates a module for applying forces according to a QM/MM.